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	hartrees
Energy at 0K	-835.658022
Energy at 298.15K	-835.661906
HF Energy	-834.707825
Nuclear repulsion energy	321.859606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3129	3010
2	A'	1514	1456
3	A'	1415	1362
4	A'	1334	1283
5	A'	1224	1178
6	A'	876	843
7	A'	819	788
8	A'	642	617
9	A'	534	514
10	A'	360	346
11	A'	189	182
12	A"	3195	3074
13	A"	1363	1312
14	A"	1168	1124
15	A"	949	913
16	A"	528	508
17	A"	353	340
18	A"	107	103

Atom	x (Å)	y (Å)	z (Å)
C1	-0.863	0.490	0.000
C2	0.650	0.430	0.000
Cl3	-1.583	-1.135	0.000
H4	-1.188	1.027	0.896
H5	-1.188	1.027	-0.896
F6	1.132	1.695	0.000
F7	1.132	-0.196	1.089
F8	1.132	-0.196	-1.089

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5143	1.7772	1.0933	1.0933	2.3311	2.3746	2.3746
C2	1.5143		2.7265	2.1293	2.1293	1.3538	1.3455	1.3455
Cl3	1.7772	2.7265		2.3733	2.3733	3.9217	3.0724	3.0724
H4	1.0933	2.1293	2.3733		1.7911	2.5748	2.6294	3.2886
H5	1.0933	2.1293	2.3733	1.7911		2.5748	3.2886	2.6294
F6	2.3311	1.3538	3.9217	2.5748	2.5748		2.1819	2.1819
F7	2.3746	1.3455	3.0724	2.6294	3.2886	2.1819		2.1781
F8	2.3746	1.3455	3.0724	3.2886	2.6294	2.1819	2.1781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.609	C1	C2	F7	112.130
C1	C2	F8	112.130	C2	C1	Cl3	111.608
C2	C1	H4	108.404	C2	C1	H5	108.404
Cl3	C1	H4	109.210	Cl3	C1	H5	109.210
H4	C1	H5	109.990	F6	C2	F7	107.866
F6	C2	F8	107.866	F7	C2	F8	108.070

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)

using model chemistry: CCSD(T)/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CF3CH2Cl (2,2,2-Trifluoroethyl chloride)

using model chemistry: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)